sodium 2-[(E)-3-(3-chloranyl-4-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: sodium 2-[(E)-3-(3-chloranyl-4-nitro-phenyl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: sodium 2-[(E)-3-(3-chloro-4-nitro-phenyl)-3-oxo-prop-1-enyl]benzoate CAS Name: sodium 2-[(E)-3-(3-chloro-4-nitrophenyl)-3-oxoprop-1-enyl]benzoate IUPAC Name: sodium 2-[(E)-3-(3-chloro-4-nitrophenyl)-3-oxoprop-1-enyl]benzoate Traditional Name: sodium 2-[(E)-3-(3-chloro-4-nitro-phenyl)-3-keto-prop-1-enyl]benzoate Formula: C16H9ClNNaO5 MolecularWeight: 353.68913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H10ClNO5.Na/c17-13-9-11(5-7-14(13)18(22)23)15(19)8-6-10-3-1-2-4-12(10)16(20)21;/h1-9H,(H,20,21);/q;+1/p-1/b8-6+;